7-methyl-1-(oxan-4-yl)benzimidazol-2-amine

C13H17N3O — CID 113333969

IUPAC7-methyl-1-(oxan-4-yl)benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C3CCOCC3)c12
InChIInChI=1S/C13H17N3O/c1-9-3-2-4-11-12(9)16(13(14)15-11)10-5-7-17-8-6-10/h2-4,10H,5-8H2,1H3,(H2,14,15)
InChIKeyZRAUCONLCCVJGG-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.28
Rot. Bonds1

About 7-methyl-1-(oxan-4-yl)benzimidazol-2-amine

7-methyl-1-(oxan-4-yl)benzimidazol-2-amine (PubChem CID 113333969) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 7-methyl-1-(oxan-4-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-methyl-1-(oxan-4-yl)benzimidazol-2-amine
PubChem CID113333969
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name7-methyl-1-(oxan-4-yl)benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C3CCOCC3)c12
InChIInChI=1S/C13H17N3O/c1-9-3-2-4-11-12(9)16(13(14)15-11)10-5-7-17-8-6-10/h2-4,10H,5-8H2,1H3,(H2,14,15)
InChIKeyZRAUCONLCCVJGG-UHFFFAOYSA-N
XLogP2.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(oxan-4-yl)benzimidazol-2-amine?
The IUPAC name of 7-methyl-1-(oxan-4-yl)benzimidazol-2-amine (CID 113333969) is 7-methyl-1-(oxan-4-yl)benzimidazol-2-amine.
What is the SMILES notation for 7-methyl-1-(oxan-4-yl)benzimidazol-2-amine?
The canonical SMILES for 7-methyl-1-(oxan-4-yl)benzimidazol-2-amine is Cc1cccc2nc(N)n(C3CCOCC3)c12.
What is the InChIKey of 7-methyl-1-(oxan-4-yl)benzimidazol-2-amine?
The InChIKey is ZRAUCONLCCVJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-3-2-4-11-12(9)16(13(14)15-11)10-5-7-17-8-6-10/h2-4,10H,5-8H2,1H3,(H2,14,15).
What are the key properties of 7-methyl-1-(oxan-4-yl)benzimidazol-2-amine?
7-methyl-1-(oxan-4-yl)benzimidazol-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(oxan-4-yl)benzimidazol-2-amine is sourced from PubChem (CID 113333969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).